(1s 2 2s 2 2p 4 5p 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 3.278172 | .09179345 |
| 2 | 3p | 1.189446 | -1.03209095 |
| 3 | 4p | .738225 | 2.63679995 |
| 4 | 5p | .686715 | -3.03606899 |
| 5 | 2p | 6.091016 | .03099014 |
| 6 | 5p | 16.047607 | -.00107488 |
| 7 | 4p | 23.502847 | -.00036406 |
| 8 | 2p | .505289 | .59575208 |
| 9 | 5p | 79.301305 | -.00000597 |
| ORB.ENERGY,a.u. | -.226800 | ||
| NORM | 1.000006 | < R > | 9.639011 | < R2 > | 104.472941 | < 1/R > | .147462 | < 1/R**2 > | .085107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.260675 | 1.26723413 |
| 2 | 3p | 3.951924 | -.34500378 |
| 3 | 2p | 8.397051 | .06910816 |
| 4 | 4p | 9.482231 | .01979091 |
| 5 | 5p | 3.169844 | .00858787 |
| 6 | 4p | .840470 | -.00972860 |
| 7 | 4p | 49.391537 | .00001636 |
| 8 | 3p | .628606 | .00989045 |
| ORB.ENERGY,a.u. | -3.414300 | ||
| NORM | 1.000000 | < R > | .689542 | < R2 > | .592363 | < 1/R > | 1.895668 | < 1/R**2 > | 5.051995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.067623 | .33523444 |
| 2 | 2s | 4.236272 | -.83000080 |
| 3 | 3s | 3.562053 | -.29541326 |
| 4 | 4s | 17.662060 | .00515437 |
| 5 | 3s | 15.072466 | .00462914 |
| 6 | 5s | 14.481278 | .00191439 |
| 7 | 5s | 14.765281 | .00492906 |
| 8 | 4s | 1.998801 | -.00021262 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727732 | < R2 > | .629280 | < 1/R > | 1.991908 | < 1/R**2 > | 16.291192 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243441 | .91124317 |
| 2 | 1s | 15.433645 | .08736711 |
| 3 | 2s | 5.654328 | .01837772 |
| 4 | 3s | 7.090108 | -.01931371 |
| 5 | 4s | 9.039921 | .00952572 |
| 6 | 5s | 26.195762 | .00114140 |
| 7 | 4s | 61.528269 | -.00004761 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142640 | < R2 > | .027372 | < 1/R > | 10.616918 | < 1/R**2 > | 227.841305 |
Total Energy= -157.64640052 a.u.
Kinetic Energy= 157.65051892 a.u.
Potential Energy= -315.29691943 a.u.
Virial Ratio = -1.99997388